CID 99426

Dtxsid30971173

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(C)C(=O)NC1=CC(=CC=C1)O

InChI

InChI=1S/C10H13NO2/c1-7(2)10(13)11-8-4-3-5-9(12)6-8/h3-7,12H,1-2H3,(H,11,13)

InChIKey

RGSXNBKIMXWTIA-UHFFFAOYSA-N

Compound name

N-(3-hydroxyphenyl)-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 179.09464 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.101916	138.9
[M+Na]+	202.083858	145.3
[M-H]-	178.087364	141.4
[M+NH4]+	197.128463	158.0
[M+K]+	218.057798	143.6
[M+H-H2O]+	162.091900	133.1
[M+HCOO]-	224.092841	161.3
[M+CH3COO]-	238.108491	182.0
[M+Na-2H]-	200.069306	143.1
[M]+	179.09409142	137.7
[M]-	179.09518858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe